N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-homoveratryl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C25H25N3O3S MolecularWeight: 447.5493

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)OC

InChI

InChI=1S/C25H25N3O3S/c1-30-21-11-10-18(15-22(21)31-2)12-13-26-25(29)20-17-28(16-19-7-4-3-5-8-19)27-24(20)23-9-6-14-32-23/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,26,29)